Cas no 91067-20-8 (2-(2-Chlorophenyl)butanedinitrile)
91067-20-8 structure
Product Name:2-(2-Chlorophenyl)butanedinitrile
CAS No:91067-20-8
MF:C10H7ClN2
MW:190.628980875015
CID:2813322
PubChem ID:13165122
Update Time:2025-04-21
2-(2-Chlorophenyl)butanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-Chlorophenyl)butanedinitrile
- 91067-20-8
- DTXSID30524123
-
- Inchi： 1S/C10H7ClN2/c11-10-4-2-1-3-9(10)8(7-13)5-6-12/h1-4,8H,5H2
- InChI Key： UZIMSZWTOOTCFI-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(C#N)CC#N
Computed Properties
- Exact Mass: 190.0297759Da
- Monoisotopic Mass: 190.0297759Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 47.6?2
2-(2-Chlorophenyl)butanedinitrile Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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